4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid

C10H12N2O3 — CID 105461530

IUPAC4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2c1CCCC2
InChIInChI=1S/C10H12N2O3/c1-15-9-6-4-2-3-5-7(6)11-8(12-9)10(13)14/h2-5H2,1H3,(H,13,14)
InChIKeyZLUWVINPKHTLQV-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.06
Rot. Bonds2

About 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid

4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid (PubChem CID 105461530) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
PubChem CID105461530
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2c1CCCC2
InChIInChI=1S/C10H12N2O3/c1-15-9-6-4-2-3-5-7(6)11-8(12-9)10(13)14/h2-5H2,1H3,(H,13,14)
InChIKeyZLUWVINPKHTLQV-UHFFFAOYSA-N
XLogP1.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid
CID 105483843
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 156555750
2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82184060
2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
CID 83822785
1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
CID 170027239
1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
CID 105464104
2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 84686452
(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
CID 167337076
1-(4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-N-methylethanamine
CID 105496729
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
2-(4-methoxyphenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
CID 82036493

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid (CID 105461530) is 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid is COc1nc(C(=O)O)nc2c1CCCC2.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid?
The InChIKey is ZLUWVINPKHTLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9-6-4-2-3-5-7(6)11-8(12-9)10(13)14/h2-5H2,1H3,(H,13,14).
What are the key properties of 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid?
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid is sourced from PubChem (CID 105461530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).